Complet list of 1i6d con file
Complete list of 1i6d.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 353
C A 0001 MET C 2.484 C A 0002 ALA CA
C A 0001 MET C 3.342 C A 0002 ALA C
C A 0001 MET C 3.641 C A 0002 ALA CB
C A 0001 MET CG 3.615 H A 0087 GLU CD
C A 0002 ALA C 2.497 C A 0003 ASP CA
C A 0002 ALA C 3.569 C A 0003 ASP C
C A 0002 ALA C 3.510 C A 0003 ASP CB
C A 0002 ALA CA 3.739 H A 0094 ALA CB
C A 0002 ALA C 3.577 H A 0094 ALA CB
C A 0003 ASP CA 3.045 H A 0004 PRO CD
C A 0003 ASP C 2.520 H A 0004 PRO CA
C A 0003 ASP C 3.264 H A 0004 PRO C
C A 0003 ASP C 3.703 H A 0004 PRO CB
C A 0003 ASP C 3.641 H A 0004 PRO CG
C A 0003 ASP C 2.514 H A 0004 PRO CD
H A 0004 PRO C 2.498 H A 0005 ALA CA
H A 0004 PRO C 3.213 H A 0005 ALA C
H A 0004 PRO C 3.728 H A 0005 ALA CB
H A 0005 ALA C 2.489 H A 0006 ALA CA
H A 0005 ALA C 3.175 H A 0006 ALA C
H A 0005 ALA C 3.727 H A 0006 ALA CB
H A 0006 ALA C 2.497 H A 0007 GLY CA
H A 0006 ALA C 3.212 H A 0007 GLY C
H A 0006 ALA CB 3.749 H A 0091 ASN CG
H A 0007 GLY C 2.502 H A 0008 GLU CA
H A 0007 GLY C 3.132 H A 0008 GLU C
H A 0007 GLY C 3.744 H A 0008 GLU CB
H A 0007 GLY CA 3.478 H A 0091 ASN C
H A 0007 GLY C 3.692 H A 0095 TYR CB
H A 0008 GLU C 2.506 H A 0009 LYS CA
H A 0008 GLU C 3.179 H A 0009 LYS C
H A 0008 GLU C 3.792 H A 0009 LYS CB
H A 0008 GLU CB 3.751 H A 0095 TYR CE1
H A 0009 LYS C 2.515 H A 0010 VAL CA
H A 0009 LYS C 3.187 H A 0010 VAL C
H A 0010 VAL C 2.517 H A 0011 PHE CA
H A 0010 VAL C 3.208 H A 0011 PHE C
H A 0010 VAL C 3.773 H A 0011 PHE CB
H A 0011 PHE C 2.504 H A 0012 GLY CA
H A 0011 PHE C 3.151 H A 0012 GLY C
H A 0011 PHE CE1 3.792 C A 0020 LEU CG
H A 0011 PHE CE1 3.756 C A 0020 LEU CD1
H A 0011 PHE CZ 3.628 C A 0020 LEU CG
H A 0011 PHE CZ 3.666 C A 0020 LEU CD2
H A 0011 PHE CE2 3.597 C A 0030 LEU CD1
H A 0011 PHE CG 3.768 H A 0095 TYR CE2
H A 0012 GLY C 2.500 H A 0013 LYS CA
H A 0012 GLY C 3.258 H A 0013 LYS C
H A 0012 GLY C 3.764 H A 0013 LYS CB
H A 0013 LYS C 2.501 C A 0014 CYS CA
H A 0013 LYS C 3.396 C A 0014 CYS C
H A 0013 LYS C 3.684 C A 0014 CYS CB
C A 0014 CYS C 2.522 C A 0015 LYS CA
C A 0014 CYS C 3.248 C A 0015 LYS C
C A 0014 CYS C 3.779 C A 0015 LYS CB
C A 0015 LYS C 2.493 C A 0016 ALA CA
C A 0015 LYS C 3.194 C A 0016 ALA C
C A 0015 LYS C 3.721 C A 0016 ALA CB
C A 0016 ALA C 2.491 C A 0017 CYS CA
C A 0016 ALA C 3.464 C A 0017 CYS C
C A 0016 ALA C 3.632 C A 0017 CYS CB
C A 0017 CYS C 2.511 C A 0018 HIS CA
C A 0017 CYS C 3.534 C A 0018 HIS C
C A 0017 CYS C 3.597 C A 0018 HIS CB
C A 0018 HIS C 2.486 C A 0019 LYS CA
C A 0018 HIS C 3.498 C A 0019 LYS C
C A 0018 HIS C 3.586 C A 0019 LYS CB
C A 0018 HIS CE1 3.673 C A 0028 PRO CD
C A 0018 HIS CB 3.630 C A 0030 LEU CD1
C A 0018 HIS CG 3.622 C A 0030 LEU CD1
C A 0019 LYS C 2.502 C A 0020 LEU CA
C A 0019 LYS C 3.253 C A 0020 LEU C
C A 0019 LYS C 3.768 C A 0020 LEU CB
C A 0019 LYS CD 3.746 C A 0023 ASN CB
C A 0020 LEU C 2.494 C A 0021 ASP CA
C A 0020 LEU C 3.298 C A 0021 ASP C
C A 0020 LEU C 3.722 C A 0021 ASP CB
C A 0021 ASP C 2.514 C A 0022 GLY CA
C A 0021 ASP C 3.240 C A 0022 GLY C
C A 0022 GLY C 2.500 C A 0023 ASN CA
C A 0022 GLY C 3.632 C A 0023 ASN C
C A 0022 GLY C 3.479 C A 0023 ASN CB
C A 0023 ASN C 2.494 C A 0024 ASP CA
C A 0023 ASN C 3.572 C A 0024 ASP C
C A 0023 ASN C 3.468 C A 0024 ASP CB
C A 0023 ASN C 3.660 C A 0024 ASP CG
C A 0024 ASP C 2.490 C A 0025 GLY CA
C A 0024 ASP C 3.614 C A 0025 GLY C
C A 0025 GLY C 2.495 C A 0026 VAL CA
C A 0025 GLY C 3.204 C A 0026 VAL C
C A 0025 GLY C 3.787 C A 0026 VAL CB
C A 0026 VAL C 2.480 C A 0027 GLY CA
C A 0026 VAL C 3.479 C A 0027 GLY C
C A 0027 GLY CA 2.993 C A 0028 PRO CD
C A 0027 GLY C 2.507 C A 0028 PRO CA
C A 0027 GLY C 3.274 C A 0028 PRO C
C A 0027 GLY C 3.658 C A 0028 PRO CB
C A 0027 GLY C 3.669 C A 0028 PRO CG
C A 0027 GLY C 2.508 C A 0028 PRO CD
C A 0027 GLY C 3.719 C A 0044 PHE CE1
C A 0028 PRO C 2.482 C A 0029 HIS CA
C A 0028 PRO C 3.225 C A 0029 HIS C
C A 0028 PRO C 3.740 C A 0029 HIS CB
C A 0029 HIS C 2.501 C A 0030 LEU CA
C A 0029 HIS C 3.360 C A 0030 LEU C
C A 0029 HIS C 3.747 C A 0030 LEU CB
C A 0029 HIS CE1 3.799 C A 0041 VAL CG1
C A 0030 LEU C 2.491 C A 0031 ASN CA
C A 0030 LEU C 3.195 C A 0031 ASN C
C A 0030 LEU C 3.692 C A 0031 ASN CB
C A 0031 ASN C 2.481 C A 0032 GLY CA
C A 0031 ASN C 3.324 C A 0032 GLY C
C A 0032 GLY C 2.504 C A 0033 VAL CA
C A 0032 GLY C 3.466 C A 0033 VAL C
C A 0032 GLY C 3.670 C A 0033 VAL CB
C A 0033 VAL C 2.503 C A 0034 VAL CA
C A 0033 VAL C 3.178 C A 0034 VAL C
C A 0034 VAL C 2.483 C A 0035 GLY CA
C A 0034 VAL C 3.436 C A 0035 GLY C
C A 0034 VAL CG2 3.638 H A 0096 LEU C
C A 0034 VAL CG2 3.647 H A 0096 LEU CB
C A 0035 GLY C 2.496 C A 0036 ARG CA
C A 0035 GLY C 3.260 C A 0036 ARG C
C A 0035 GLY C 3.723 C A 0036 ARG CB
C A 0036 ARG C 2.495 C A 0037 THR CA
C A 0036 ARG C 3.148 C A 0037 THR C
C A 0036 ARG C 3.747 C A 0037 THR CB
C A 0036 ARG CZ 3.628 C A 0041 VAL CG2
C A 0037 THR C 2.497 C A 0038 VAL CA
C A 0037 THR C 3.160 C A 0038 VAL C
C A 0037 THR C 3.783 C A 0038 VAL CB
C A 0038 VAL C 2.513 C A 0039 ALA CA
C A 0038 VAL C 3.305 C A 0039 ALA C
C A 0038 VAL C 3.169 C A 0039 ALA CB
C A 0038 VAL CG2 3.771 C A 0055 GLY C
C A 0039 ALA C 2.501 C A 0040 GLY CA
C A 0039 ALA C 3.449 C A 0040 GLY C
C A 0039 ALA C 3.703 C A 0046 TYR CE2
C A 0039 ALA CB 3.685 H A 0051 LYS CG
C A 0040 GLY C 2.493 C A 0041 VAL CA
C A 0040 GLY C 3.602 C A 0041 VAL C
C A 0040 GLY C 3.499 C A 0041 VAL CB
C A 0040 GLY C 3.540 C A 0041 VAL CG2
C A 0041 VAL C 2.495 C A 0042 ASP CA
C A 0041 VAL C 3.194 C A 0042 ASP C
C A 0041 VAL C 3.756 C A 0042 ASP CB
C A 0042 ASP C 2.477 C A 0043 GLY CA
C A 0042 ASP C 3.735 C A 0043 GLY C
C A 0043 GLY C 2.486 C A 0044 PHE CA
C A 0043 GLY C 3.319 C A 0044 PHE C
C A 0043 GLY C 3.690 C A 0044 PHE CB
C A 0044 PHE C 2.492 C A 0045 ASN CA
C A 0044 PHE C 3.273 C A 0045 ASN C
C A 0044 PHE C 3.692 C A 0045 ASN CB
C A 0044 PHE CD2 3.727 C A 0045 ASN C
C A 0045 ASN C 2.489 C A 0046 TYR CA
C A 0045 ASN C 3.273 C A 0046 TYR C
C A 0045 ASN C 3.743 C A 0046 TYR CB
C A 0046 TYR C 2.489 C A 0047 SER CA
C A 0046 TYR C 3.183 C A 0047 SER C
C A 0046 TYR C 3.767 C A 0047 SER CB
C A 0047 SER C 2.498 H A 0048 ASP CA
C A 0047 SER C 3.173 H A 0048 ASP C
C A 0047 SER C 3.793 H A 0048 ASP CB
C A 0047 SER C 3.764 H A 0049 PRO CD
H A 0048 ASP CA 3.121 H A 0049 PRO CD
H A 0048 ASP C 2.516 H A 0049 PRO CA
H A 0048 ASP C 3.241 H A 0049 PRO C
H A 0048 ASP C 3.697 H A 0049 PRO CB
H A 0048 ASP C 3.617 H A 0049 PRO CG
H A 0048 ASP C 2.518 H A 0049 PRO CD
H A 0048 ASP CB 3.612 H A 0049 PRO CD
H A 0049 PRO C 2.495 H A 0050 MET CA
H A 0049 PRO C 3.195 H A 0050 MET C
H A 0049 PRO C 3.736 H A 0050 MET CB
H A 0049 PRO C 3.672 C A 0073 VAL CG1
H A 0050 MET C 2.500 H A 0051 LYS CA
H A 0050 MET C 3.199 H A 0051 LYS C
H A 0050 MET C 3.769 H A 0051 LYS CB
H A 0050 MET CE 3.764 H A 0065 PHE CZ
H A 0050 MET CA 3.689 C A 0073 VAL CG1
H A 0051 LYS C 2.500 H A 0052 ALA CA
H A 0051 LYS C 3.306 H A 0052 ALA C
H A 0051 LYS C 3.710 H A 0052 ALA CB
H A 0052 ALA C 2.503 H A 0053 HIS CA
H A 0052 ALA C 3.196 H A 0053 HIS C
H A 0052 ALA C 3.738 H A 0053 HIS CB
H A 0053 HIS C 2.484 C A 0054 GLY CA
H A 0053 HIS C 3.288 C A 0054 GLY C
C A 0054 GLY C 2.479 C A 0055 GLY CA
C A 0054 GLY C 3.409 C A 0055 GLY C
C A 0055 GLY C 2.497 C A 0056 ASP CA
C A 0055 GLY C 3.662 C A 0056 ASP C
C A 0055 GLY C 3.445 C A 0056 ASP CB
C A 0055 GLY C 3.547 C A 0056 ASP CG
C A 0056 ASP C 2.492 C A 0057 TRP CA
C A 0056 ASP C 3.299 C A 0057 TRP C
C A 0056 ASP C 3.723 C A 0057 TRP CB
C A 0057 TRP C 2.503 C A 0058 THR CA
C A 0057 TRP C 3.304 C A 0058 THR C
C A 0057 TRP C 3.738 C A 0058 THR CB
C A 0057 TRP CE3 3.667 H A 0062 LEU CD2
C A 0057 TRP CZ3 3.713 H A 0065 PHE CB
C A 0057 TRP CZ3 3.771 H A 0065 PHE CG
C A 0057 TRP CH2 3.509 H A 0065 PHE CG
C A 0057 TRP CH2 3.711 H A 0065 PHE CD1
C A 0057 TRP CH2 3.733 H A 0065 PHE CD2
C A 0058 THR CA 3.059 H A 0059 PRO CD
C A 0058 THR C 2.523 H A 0059 PRO CA
C A 0058 THR C 3.176 H A 0059 PRO C
C A 0058 THR C 3.703 H A 0059 PRO CB
C A 0058 THR C 3.651 H A 0059 PRO CG
C A 0058 THR C 2.521 H A 0059 PRO CD
C A 0058 THR CB 3.551 H A 0059 PRO CD
H A 0059 PRO C 2.503 H A 0060 GLU CA
H A 0059 PRO C 3.170 H A 0060 GLU C
H A 0059 PRO C 3.757 H A 0060 GLU CB
H A 0060 GLU C 2.495 H A 0061 ALA CA
H A 0060 GLU C 3.193 H A 0061 ALA C
H A 0060 GLU C 3.731 H A 0061 ALA CB
H A 0061 ALA C 2.504 H A 0062 LEU CA
H A 0061 ALA C 3.176 H A 0062 LEU C
H A 0061 ALA C 3.780 H A 0062 LEU CB
H A 0062 LEU C 2.496 H A 0063 GLN CA
H A 0062 LEU C 3.216 H A 0063 GLN C
H A 0062 LEU C 3.785 H A 0063 GLN CB
H A 0063 GLN C 2.499 H A 0064 GLU CA
H A 0063 GLN C 3.153 H A 0064 GLU C
H A 0063 GLN C 3.761 H A 0064 GLU CB
H A 0063 GLN CB 3.782 H A 0093 ILE CD1
H A 0064 GLU C 2.501 H A 0065 PHE CA
H A 0064 GLU C 3.184 H A 0065 PHE C
H A 0064 GLU C 3.717 H A 0065 PHE CB
H A 0064 GLU C 3.695 H A 0072 VAL CG2
H A 0065 PHE C 2.485 H A 0066 LEU CA
H A 0065 PHE C 3.274 H A 0066 LEU C
H A 0065 PHE C 3.745 H A 0066 LEU CB
H A 0065 PHE CD1 3.763 H A 0069 PRO CA
H A 0065 PHE CE1 3.541 H A 0069 PRO CB
H A 0065 PHE CZ 3.643 H A 0069 PRO CB
H A 0065 PHE CE1 3.717 C A 0073 VAL CG2
H A 0065 PHE CE2 3.477 C A 0078 MET CE
H A 0066 LEU C 2.505 H A 0067 THR CA
H A 0066 LEU C 3.199 H A 0067 THR C
H A 0066 LEU C 3.790 H A 0067 THR CB
H A 0067 THR C 2.496 C A 0068 ASN CA
H A 0067 THR C 3.724 C A 0068 ASN C
H A 0067 THR C 3.309 C A 0068 ASN CB
C A 0068 ASN CA 3.032 H A 0069 PRO CD
C A 0068 ASN C 2.504 H A 0069 PRO CA
C A 0068 ASN C 3.304 H A 0069 PRO C
C A 0068 ASN C 3.669 H A 0069 PRO CB
C A 0068 ASN C 3.703 H A 0069 PRO CG
C A 0068 ASN C 2.507 H A 0069 PRO CD
C A 0068 ASN CG 3.609 H A 0071 ALA CB
H A 0069 PRO C 2.498 H A 0070 LYS CA
H A 0069 PRO C 3.319 H A 0070 LYS C
H A 0069 PRO C 3.731 H A 0070 LYS CB
H A 0070 LYS C 2.488 H A 0071 ALA CA
H A 0070 LYS C 3.285 H A 0071 ALA C
H A 0070 LYS C 3.703 H A 0071 ALA CB
H A 0070 LYS CG 3.669 C A 0076 THR CG2
H A 0071 ALA C 2.512 H A 0072 VAL CA
H A 0071 ALA C 3.207 H A 0072 VAL C
H A 0071 ALA C 3.800 H A 0072 VAL CB
H A 0072 VAL C 2.492 C A 0073 VAL CA
H A 0072 VAL C 3.346 C A 0073 VAL C
H A 0072 VAL C 3.677 C A 0073 VAL CB
C A 0073 VAL C 2.492 C A 0074 LYS CA
C A 0073 VAL C 3.226 C A 0074 LYS C
C A 0073 VAL C 3.716 C A 0074 LYS CB
C A 0074 LYS C 2.488 C A 0075 GLY CA
C A 0074 LYS C 3.478 C A 0075 GLY C
C A 0075 GLY C 2.496 C A 0076 THR CA
C A 0075 GLY C 3.237 C A 0076 THR C
C A 0075 GLY C 3.767 C A 0076 THR CB
C A 0076 THR C 2.497 C A 0077 LYS CA
C A 0076 THR C 3.316 C A 0077 LYS C
C A 0076 THR C 3.746 C A 0077 LYS CB
C A 0077 LYS C 2.493 C A 0078 MET CA
C A 0077 LYS C 3.244 C A 0078 MET C
C A 0077 LYS C 3.727 C A 0078 MET CB
C A 0078 MET C 2.487 C A 0079 ALA CA
C A 0078 MET C 3.300 C A 0079 ALA C
C A 0078 MET C 3.663 C A 0079 ALA CB
C A 0079 ALA C 2.495 C A 0080 PHE CA
C A 0079 ALA C 3.649 C A 0080 PHE C
C A 0079 ALA C 3.359 C A 0080 PHE CB
C A 0080 PHE C 2.482 C A 0081 ALA CA
C A 0080 PHE C 3.257 C A 0081 ALA C
C A 0080 PHE C 3.694 C A 0081 ALA CB
C A 0080 PHE CE2 3.718 C A 0082 GLY CA
C A 0080 PHE CE2 3.685 C A 0082 GLY C
C A 0081 ALA C 2.472 C A 0082 GLY CA
C A 0082 GLY C 2.492 C A 0083 LEU CA
C A 0082 GLY C 3.367 C A 0083 LEU C
C A 0082 GLY C 3.678 C A 0083 LEU CB
C A 0083 LEU CA 3.055 C A 0084 PRO CD
C A 0083 LEU C 2.514 C A 0084 PRO CA
C A 0083 LEU C 3.309 C A 0084 PRO C
C A 0083 LEU C 3.673 C A 0084 PRO CB
C A 0083 LEU C 3.695 C A 0084 PRO CG
C A 0083 LEU C 2.517 C A 0084 PRO CD
C A 0083 LEU CB 3.769 H A 0089 ARG CG
C A 0083 LEU CD1 3.799 H A 0092 LEU CD1
C A 0084 PRO C 2.492 C A 0085 LYS CA
C A 0084 PRO C 3.263 C A 0085 LYS C
C A 0084 PRO C 3.735 C A 0085 LYS CB
C A 0085 LYS C 2.509 H A 0086 ILE CA
C A 0085 LYS C 3.142 H A 0086 ILE C
C A 0085 LYS C 3.798 H A 0086 ILE CB
H A 0086 ILE C 2.512 H A 0087 GLU CA
H A 0086 ILE C 3.129 H A 0087 GLU C
H A 0086 ILE C 3.798 H A 0087 GLU CB
H A 0087 GLU C 2.508 H A 0088 ASP CA
H A 0087 GLU C 3.192 H A 0088 ASP C
H A 0087 GLU C 3.776 H A 0088 ASP CB
H A 0088 ASP C 2.503 H A 0089 ARG CA
H A 0088 ASP C 3.171 H A 0089 ARG C
H A 0088 ASP C 3.793 H A 0089 ARG CB
H A 0089 ARG C 2.499 H A 0090 ALA CA
H A 0089 ARG C 3.190 H A 0090 ALA C
H A 0089 ARG C 3.722 H A 0090 ALA CB
H A 0090 ALA C 2.502 H A 0091 ASN CA
H A 0090 ALA C 3.132 H A 0091 ASN C
H A 0090 ALA C 3.792 H A 0091 ASN CB
H A 0091 ASN C 2.499 H A 0092 LEU CA
H A 0091 ASN C 3.163 H A 0092 LEU C
H A 0091 ASN C 3.765 H A 0092 LEU CB
H A 0092 LEU C 2.507 H A 0093 ILE CA
H A 0092 LEU C 3.165 H A 0093 ILE C
H A 0092 LEU C 3.780 H A 0093 ILE CB
H A 0092 LEU CD2 3.693 H A 0096 LEU CG
H A 0093 ILE C 2.496 H A 0094 ALA CA
H A 0093 ILE C 3.172 H A 0094 ALA C
H A 0093 ILE C 3.722 H A 0094 ALA CB
H A 0094 ALA C 2.495 H A 0095 TYR CA
H A 0094 ALA C 3.208 H A 0095 TYR C
H A 0094 ALA C 3.742 H A 0095 TYR CB
H A 0095 TYR C 2.500 H A 0096 LEU CA
H A 0095 TYR C 3.190 H A 0096 LEU C
H A 0095 TYR C 3.800 H A 0096 LEU CB
H A 0096 LEU C 2.511 H A 0097 GLU CA
H A 0096 LEU C 3.242 H A 0097 GLU C
H A 0096 LEU C 3.773 H A 0097 GLU CB
H A 0097 GLU C 2.494 H A 0098 GLY CA
H A 0097 GLU C 3.227 H A 0098 GLY C
H A 0098 GLY C 2.506 C A 0099 GLN CA
H A 0098 GLY C 3.362 C A 0099 GLN C
H A 0098 GLY C 3.687 C A 0099 GLN CB
C A 0099 GLN C 2.499 C A 0100 GLN CA
C A 0099 GLN C 3.602 C A 0100 GLN C
C A 0099 GLN C 3.458 C A 0100 GLN CB
CHARGE_ATTR 2.00 12.00 72
C A 0003 ASP OD1 8.046 H A 0009 LYS NZ
C A 0003 ASP OD2 9.754 H A 0009 LYS NZ
H A 0008 GLU OE1 7.333 H A 0009 LYS NZ
H A 0008 GLU OE2 9.356 H A 0009 LYS NZ
H A 0008 GLU OE1 6.503 C A 0015 LYS NZ
H A 0008 GLU OE2 5.030 C A 0015 LYS NZ
C A 0021 ASP OD2 11.41 C A 0015 LYS NZ
C A 0021 ASP OD1 11.47 C A 0019 LYS NZ
C A 0021 ASP OD2 9.854 C A 0019 LYS NZ
C A 0021 ASP OD1 11.51 C A 0029 HIS ND1
C A 0021 ASP OD1 11.22 C A 0029 HIS NE2
C A 0021 ASP OD2 11.60 C A 0029 HIS ND1
C A 0021 ASP OD2 11.74 C A 0029 HIS NE2
C A 0024 ASP OD1 8.705 C A 0018 HIS ND1
C A 0024 ASP OD1 10.81 C A 0018 HIS NE2
C A 0024 ASP OD2 7.199 C A 0018 HIS ND1
C A 0024 ASP OD2 9.105 C A 0018 HIS NE2
C A 0024 ASP OD1 8.376 C A 0019 LYS NZ
C A 0024 ASP OD2 8.998 C A 0019 LYS NZ
C A 0024 ASP OD1 2.932 C A 0029 HIS ND1
C A 0024 ASP OD1 5.092 C A 0029 HIS NE2
C A 0024 ASP OD2 3.366 C A 0029 HIS ND1
C A 0024 ASP OD2 5.689 C A 0029 HIS NE2
C A 0024 ASP OD1 7.178 C A 0036 ARG NH1
C A 0024 ASP OD1 7.319 C A 0036 ARG NH2
C A 0024 ASP OD2 6.494 C A 0036 ARG NH1
C A 0024 ASP OD2 5.984 C A 0036 ARG NH2
C A 0024 ASP OD2 11.79 C A 0077 LYS NZ
C A 0042 ASP OD1 11.53 C A 0029 HIS ND1
C A 0042 ASP OD2 10.34 C A 0029 HIS ND1
C A 0042 ASP OD2 10.49 C A 0029 HIS NE2
C A 0042 ASP OD2 10.84 C A 0036 ARG NH1
C A 0042 ASP OD2 11.09 C A 0036 ARG NH2
C A 0042 ASP OD1 9.706 H A 0051 LYS NZ
C A 0042 ASP OD2 11.23 H A 0051 LYS NZ
H A 0048 ASP OD1 3.336 H A 0051 LYS NZ
H A 0048 ASP OD2 5.140 H A 0051 LYS NZ
H A 0048 ASP OD2 11.07 C A 0077 LYS NZ
C A 0056 ASP OD1 10.78 C A 0036 ARG NH1
C A 0056 ASP OD1 10.77 C A 0036 ARG NH2
C A 0056 ASP OD1 10.21 H A 0053 HIS ND1
C A 0056 ASP OD1 11.82 H A 0053 HIS NE2
C A 0056 ASP OD2 10.44 H A 0053 HIS ND1
C A 0056 ASP OD2 11.69 H A 0053 HIS NE2
H A 0060 GLU OE2 11.39 H A 0053 HIS NE2
H A 0060 GLU OE1 10.87 H A 0089 ARG NH1
H A 0060 GLU OE1 9.040 H A 0089 ARG NH2
H A 0060 GLU OE2 10.09 H A 0089 ARG NH1
H A 0060 GLU OE2 8.509 H A 0089 ARG NH2
H A 0064 GLU OE1 9.789 H A 0053 HIS ND1
H A 0064 GLU OE1 7.928 H A 0053 HIS NE2
H A 0064 GLU OE2 10.40 H A 0053 HIS ND1
H A 0064 GLU OE2 8.873 H A 0053 HIS NE2
H A 0064 GLU OE1 11.10 H A 0089 ARG NH1
H A 0064 GLU OE1 10.18 H A 0089 ARG NH2
H A 0064 GLU OE2 10.97 H A 0089 ARG NH1
H A 0064 GLU OE2 9.790 H A 0089 ARG NH2
H A 0087 GLU OE1 10.18 C A 0085 LYS NZ
H A 0087 GLU OE2 10.05 C A 0085 LYS NZ
H A 0087 GLU OE1 9.288 H A 0089 ARG NH1
H A 0087 GLU OE1 8.582 H A 0089 ARG NH2
H A 0087 GLU OE2 11.13 H A 0089 ARG NH1
H A 0087 GLU OE2 10.63 H A 0089 ARG NH2
H A 0088 ASP OD2 10.61 H A 0009 LYS NZ
H A 0088 ASP OD1 7.017 H A 0013 LYS NZ
H A 0088 ASP OD2 6.046 H A 0013 LYS NZ
H A 0088 ASP OD1 5.353 C A 0085 LYS NZ
H A 0088 ASP OD2 6.985 C A 0085 LYS NZ
H A 0088 ASP OD1 8.185 H A 0089 ARG NH1
H A 0088 ASP OD1 9.410 H A 0089 ARG NH2
H A 0088 ASP OD2 9.399 H A 0089 ARG NH1
H A 0088 ASP OD2 10.77 H A 0089 ARG NH2
CHARGE_REPU 2.00 12.00 52
C A 0003 ASP OD1 9.786 H A 0008 GLU OE1
C A 0003 ASP OD1 11.43 H A 0008 GLU OE2
C A 0003 ASP OD2 11.95 H A 0008 GLU OE1
C A 0003 ASP OD1 11.48 H A 0087 GLU OE1
C A 0003 ASP OD1 11.02 H A 0087 GLU OE2
C A 0003 ASP OD2 11.18 H A 0087 GLU OE1
C A 0003 ASP OD2 10.58 H A 0087 GLU OE2
C A 0003 ASP OD1 11.45 H A 0088 ASP OD1
C A 0003 ASP OD1 10.67 H A 0088 ASP OD2
C A 0003 ASP OD1 11.82 H A 0097 GLU OE1
C A 0003 ASP OD2 11.90 H A 0097 GLU OE1
H A 0008 GLU OE2 11.65 C A 0021 ASP OD1
H A 0008 GLU OE2 10.62 C A 0021 ASP OD2
H A 0009 LYS NZ 11.47 C A 0015 LYS NZ
H A 0013 LYS NZ 8.465 C A 0085 LYS NZ
H A 0013 LYS NZ 10.09 H A 0089 ARG NH1
C A 0018 HIS ND1 10.11 C A 0019 LYS NZ
C A 0018 HIS NE2 11.56 C A 0019 LYS NZ
C A 0018 HIS ND1 8.247 C A 0029 HIS ND1
C A 0018 HIS ND1 9.700 C A 0029 HIS NE2
C A 0018 HIS NE2 10.46 C A 0029 HIS ND1
C A 0018 HIS NE2 11.90 C A 0029 HIS NE2
C A 0018 HIS ND1 8.088 C A 0036 ARG NH1
C A 0018 HIS ND1 6.475 C A 0036 ARG NH2
C A 0018 HIS NE2 9.918 C A 0036 ARG NH1
C A 0018 HIS NE2 8.061 C A 0036 ARG NH2
C A 0018 HIS ND1 11.20 C A 0077 LYS NZ
C A 0018 HIS NE2 10.45 C A 0077 LYS NZ
C A 0019 LYS NZ 10.42 C A 0029 HIS ND1
C A 0021 ASP OD2 11.79 C A 0024 ASP OD1
C A 0024 ASP OD1 11.36 C A 0042 ASP OD1
C A 0024 ASP OD1 10.70 C A 0042 ASP OD2
C A 0024 ASP OD2 10.84 C A 0042 ASP OD1
C A 0024 ASP OD2 10.26 C A 0042 ASP OD2
C A 0029 HIS ND1 4.428 C A 0036 ARG NH1
C A 0029 HIS ND1 5.123 C A 0036 ARG NH2
C A 0029 HIS NE2 3.753 C A 0036 ARG NH1
C A 0029 HIS NE2 5.402 C A 0036 ARG NH2
C A 0042 ASP OD2 11.70 C A 0056 ASP OD1
H A 0051 LYS NZ 11.68 C A 0077 LYS NZ
H A 0053 HIS NE2 11.48 C A 0074 LYS NZ
H A 0060 GLU OE1 6.711 H A 0064 GLU OE1
H A 0060 GLU OE1 4.685 H A 0064 GLU OE2
H A 0060 GLU OE2 4.472 H A 0064 GLU OE1
H A 0060 GLU OE2 2.575 H A 0064 GLU OE2
H A 0070 LYS NZ 10.88 C A 0077 LYS NZ
C A 0085 LYS NZ 9.700 H A 0089 ARG NH1
C A 0085 LYS NZ 11.05 H A 0089 ARG NH2
H A 0087 GLU OE1 7.788 H A 0088 ASP OD1
H A 0087 GLU OE1 9.439 H A 0088 ASP OD2
H A 0087 GLU OE2 8.112 H A 0088 ASP OD1
H A 0087 GLU OE2 9.748 H A 0088 ASP OD2
HB_MM 2.00 3.20 146
C A 0002 ALA N 2.247 C A 0001 MET O
C A 0003 ASP N 3.180 C A 0001 MET O
C A 0003 ASP N 2.257 C A 0002 ALA O
H A 0004 PRO N 2.256 C A 0003 ASP O
H A 0005 ALA N 2.254 H A 0004 PRO O
H A 0006 ALA N 2.257 H A 0005 ALA O
H A 0007 GLY N 2.956 C A 0003 ASP O
H A 0007 GLY N 2.250 H A 0006 ALA O
H A 0008 GLU N 2.924 H A 0004 PRO O
H A 0008 GLU N 2.254 H A 0007 GLY O
H A 0009 LYS N 3.138 H A 0006 ALA O
H A 0009 LYS N 2.254 H A 0008 GLU O
H A 0010 VAL N 3.025 H A 0006 ALA O
H A 0010 VAL N 2.255 H A 0009 LYS O
H A 0011 PHE N 2.826 H A 0007 GLY O
H A 0011 PHE N 2.252 H A 0010 VAL O
H A 0012 GLY N 3.141 H A 0009 LYS O
H A 0012 GLY N 2.241 H A 0011 PHE O
H A 0013 LYS N 2.255 H A 0012 GLY O
C A 0014 CYS N 2.919 H A 0011 PHE O
C A 0014 CYS N 2.247 H A 0013 LYS O
C A 0015 LYS N 2.935 H A 0011 PHE O
C A 0015 LYS N 2.261 C A 0014 CYS O
C A 0016 ALA N 2.253 C A 0015 LYS O
C A 0017 CYS N 3.169 C A 0014 CYS O
C A 0017 CYS N 2.257 C A 0016 ALA O
C A 0018 HIS N 2.966 C A 0014 CYS O
C A 0018 HIS N 2.259 C A 0017 CYS O
C A 0019 LYS N 2.251 C A 0018 HIS O
C A 0020 LEU N 2.248 C A 0019 LYS O
C A 0021 ASP N 2.240 C A 0020 LEU O
C A 0022 GLY N 2.924 C A 0020 LEU O
C A 0022 GLY N 2.253 C A 0021 ASP O
C A 0023 ASN N 2.256 C A 0022 GLY O
C A 0024 ASP N 2.248 C A 0023 ASN O
C A 0025 GLY N 2.259 C A 0024 ASP O
C A 0026 VAL N 2.259 C A 0025 GLY O
C A 0027 GLY N 2.954 C A 0017 CYS O
C A 0027 GLY N 2.255 C A 0026 VAL O
C A 0028 PRO N 2.252 C A 0027 GLY O
C A 0029 HIS N 2.238 C A 0028 PRO O
C A 0030 LEU N 2.247 C A 0029 HIS O
C A 0031 ASN N 2.246 C A 0030 LEU O
C A 0032 GLY N 2.249 C A 0031 ASN O
C A 0032 GLY N 2.852 C A 0099 GLN O
C A 0033 VAL N 2.258 C A 0032 GLY O
C A 0034 VAL N 2.246 C A 0033 VAL O
C A 0035 GLY N 2.257 C A 0034 VAL O
C A 0035 GLY N 2.866 C A 0057 TRP O
C A 0036 ARG N 3.004 C A 0033 VAL O
C A 0036 ARG N 2.249 C A 0035 GLY O
C A 0037 THR N 2.253 C A 0036 ARG O
C A 0038 VAL N 2.255 C A 0037 THR O
C A 0038 VAL N 2.984 C A 0055 GLY O
C A 0039 ALA N 2.264 C A 0038 VAL O
C A 0040 GLY N 2.906 C A 0037 THR O
C A 0040 GLY N 2.238 C A 0039 ALA O
C A 0041 VAL N 2.260 C A 0040 GLY O
C A 0042 ASP N 2.258 C A 0041 VAL O
C A 0043 GLY N 3.196 C A 0041 VAL O
C A 0043 GLY N 2.256 C A 0042 ASP O
C A 0044 PHE N 2.260 C A 0043 GLY O
C A 0045 ASN N 2.257 C A 0044 PHE O
C A 0046 TYR N 3.184 C A 0044 PHE O
C A 0046 TYR N 2.255 C A 0045 ASN O
C A 0047 SER N 2.253 C A 0046 TYR O
H A 0048 ASP N 2.257 C A 0047 SER O
H A 0049 PRO N 2.247 H A 0048 ASP O
H A 0050 MET N 2.247 H A 0049 PRO O
H A 0051 LYS N 2.256 H A 0050 MET O
H A 0052 ALA N 2.889 H A 0048 ASP O
H A 0052 ALA N 2.254 H A 0051 LYS O
H A 0053 HIS N 2.986 H A 0049 PRO O
H A 0053 HIS N 2.249 H A 0052 ALA O
C A 0054 GLY N 2.257 H A 0053 HIS O
C A 0055 GLY N 2.249 C A 0054 GLY O
C A 0056 ASP N 2.256 C A 0055 GLY O
C A 0057 TRP N 2.812 C A 0036 ARG O
C A 0057 TRP N 2.251 C A 0056 ASP O
C A 0058 THR N 2.974 C A 0056 ASP O
C A 0058 THR N 2.251 C A 0057 TRP O
H A 0059 PRO N 2.246 C A 0058 THR O
H A 0060 GLU N 2.261 H A 0059 PRO O
H A 0061 ALA N 2.258 H A 0060 GLU O
H A 0062 LEU N 2.866 C A 0058 THR O
H A 0062 LEU N 2.258 H A 0061 ALA O
H A 0063 GLN N 2.933 H A 0059 PRO O
H A 0063 GLN N 2.244 H A 0062 LEU O
H A 0064 GLU N 2.252 H A 0063 GLN O
H A 0065 PHE N 2.988 H A 0061 ALA O
H A 0065 PHE N 2.256 H A 0064 GLU O
H A 0066 LEU N 2.799 H A 0062 LEU O
H A 0066 LEU N 2.229 H A 0065 PHE O
H A 0067 THR N 3.107 H A 0063 GLN O
H A 0067 THR N 2.246 H A 0066 LEU O
C A 0068 ASN N 2.253 H A 0067 THR O
H A 0069 PRO N 2.963 H A 0065 PHE O
H A 0069 PRO N 2.255 C A 0068 ASN O
H A 0070 LYS N 2.259 H A 0069 PRO O
H A 0071 ALA N 2.245 H A 0070 LYS O
H A 0072 VAL N 2.255 H A 0071 ALA O
C A 0073 VAL N 2.941 H A 0069 PRO O
C A 0073 VAL N 2.254 H A 0072 VAL O
C A 0074 LYS N 2.260 C A 0073 VAL O
C A 0075 GLY N 3.119 C A 0073 VAL O
C A 0075 GLY N 2.259 C A 0074 LYS O
C A 0076 THR N 3.198 C A 0073 VAL O
C A 0076 THR N 2.252 C A 0075 GLY O
C A 0077 LYS N 2.250 C A 0076 THR O
C A 0078 MET N 2.247 C A 0077 LYS O
C A 0079 ALA N 2.261 C A 0078 MET O
C A 0080 PHE N 3.087 C A 0078 MET O
C A 0080 PHE N 2.256 C A 0079 ALA O
C A 0081 ALA N 2.250 C A 0080 PHE O
C A 0082 GLY N 2.257 C A 0081 ALA O
C A 0083 LEU N 2.780 H A 0066 LEU O
C A 0083 LEU N 2.256 C A 0082 GLY O
C A 0084 PRO N 2.252 C A 0083 LEU O
C A 0085 LYS N 2.253 C A 0084 PRO O
H A 0086 ILE N 2.260 C A 0085 LYS O
H A 0087 GLU N 2.260 H A 0086 ILE O
H A 0088 ASP N 2.258 H A 0087 GLU O
H A 0089 ARG N 2.257 H A 0088 ASP O
H A 0090 ALA N 2.863 H A 0086 ILE O
H A 0090 ALA N 2.257 H A 0089 ARG O
H A 0091 ASN N 3.140 C A 0001 MET O
H A 0091 ASN N 2.929 H A 0087 GLU O
H A 0091 ASN N 2.257 H A 0090 ALA O
H A 0092 LEU N 3.031 H A 0088 ASP O
H A 0092 LEU N 2.255 H A 0091 ASN O
H A 0093 ILE N 2.945 H A 0089 ARG O
H A 0093 ILE N 2.246 H A 0092 LEU O
H A 0094 ALA N 3.080 H A 0090 ALA O
H A 0094 ALA N 2.248 H A 0093 ILE O
H A 0095 TYR N 3.143 H A 0091 ASN O
H A 0095 TYR N 3.162 H A 0092 LEU O
H A 0095 TYR N 2.251 H A 0094 ALA O
H A 0096 LEU N 2.846 H A 0092 LEU O
H A 0096 LEU N 2.245 H A 0095 TYR O
H A 0097 GLU N 2.867 H A 0093 ILE O
H A 0097 GLU N 2.248 H A 0096 LEU O
H A 0098 GLY N 3.030 H A 0094 ALA O
H A 0098 GLY N 2.244 H A 0097 GLU O
C A 0099 GLN N 2.838 H A 0095 TYR O
C A 0099 GLN N 2.249 H A 0098 GLY O
C A 0100 GLN N 2.253 C A 0099 GLN O
HB_MS 2.00 3.20 13
C A 0001 MET O 2.882 H A 0091 ASN ND2
H A 0006 ALA N 3.014 C A 0003 ASP OD1
C A 0021 ASP O 2.864 C A 0023 ASN ND2
C A 0028 PRO O 2.781 C A 0018 HIS ND1
C A 0029 HIS N 3.152 C A 0024 ASP OD2
C A 0029 HIS O 2.817 C A 0036 ARG NH1
C A 0029 HIS O 2.890 C A 0036 ARG NH2
C A 0032 GLY O 3.167 C A 0036 ARG NH1
C A 0034 VAL O 2.966 C A 0100 GLN NE2
H A 0063 GLN O 2.536 H A 0067 THR OG1
H A 0071 ALA N 3.090 C A 0068 ASN OD1
C A 0083 LEU O 2.820 H A 0089 ARG NH1
C A 0084 PRO O 2.909 H A 0089 ARG NH1
HB_SS 2.00 3.20 1
C A 0056 ASP OD1 2.672 C A 0037 THR OG1
AROMATIC 0.00 8.00 4
H A 0013 LYS 6.403 C A 0080 PHE
C A 0036 ARG 7.225 C A 0046 TYR
C A 0036 ARG 7.630 C A 0018 HIS
C A 0036 ARG 3.901 C A 0029 HIS